CID 131093241

1,2,5-triazaspiro[2.3]hex-1-ene hydrochloride

Structural Information

Molecular Formula
C3H5N3
SMILES
C1C2(CN1)N=N2
InChI
InChI=1S/C3H5N3/c1-3(2-4-1)5-6-3/h4H,1-2H2
InChIKey
IIXVKZFWLNYVIC-UHFFFAOYSA-N
Compound name
1,2,5-triazaspiro[2.3]hex-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

83.04835 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.055626 123.2
[M+Na]+ 106.03757 133.4
[M-H]- 82.041074 124.9
[M+NH4]+ 101.08217 133.8
[M+K]+ 122.01151 134.2
[M+H-H2O]+ 66.045610 112.1
[M+HCOO]- 128.04655 142.7
[M+CH3COO]- 142.06220 166.9
[M+Na-2H]- 104.02302 133.6
[M]+ 83.047801 131.4
[M]- 83.048899 131.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.